1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide

C29H30N4O3 — CID 30997182

IUPAC1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H30N4O3/c1-4-32(5-2)29(35)23-11-15-24(16-12-23)30-28(34)26-20-33(19-21-9-7-6-8-10-21)31-27(26)22-13-17-25(36-3)18-14-22/h6-18,20H,4-5,19H2,1-3H3,(H,30,34)
InChIKeyROXLTRZVANSJCL-UHFFFAOYSA-N
MW482.58 g/mol
LogP5.34
Rot. Bonds9

About 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 30997182) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID30997182
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C29H30N4O3/c1-4-32(5-2)29(35)23-11-15-24(16-12-23)30-28(34)26-20-33(19-21-9-7-6-8-10-21)31-27(26)22-13-17-25(36-3)18-14-22/h6-18,20H,4-5,19H2,1-3H3,(H,30,34)
InChIKeyROXLTRZVANSJCL-UHFFFAOYSA-N
XLogP5.34
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dibenzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 27843936
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-3-(4-methoxyphenyl)-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrazole-4-carboxamide
CID 55484396
1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 124882051
1-benzyl-3-(4-methoxyphenyl)-N-(5-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 32995513
N-(2-amino-2-methylpropyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 119625953
ethyl N-[2-[[1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carbonyl]amino]ethyl]carbamate
CID 56557916
1-benzyl-3-(4-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 17426569
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
1-benzyl-N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-phenylpyrazole-4-carboxamide
CID 40815406

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 30997182) is 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide is CCN(CC)C(=O)c1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is ROXLTRZVANSJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-4-32(5-2)29(35)23-11-15-24(16-12-23)30-28(34)26-20-33(19-21-9-7-6-8-10-21)31-27(26)22-13-17-25(36-3)18-14-22/h6-18,20H,4-5,19H2,1-3H3,(H,30,34).
What are the key properties of 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 30997182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).